Geometry & MOs

Info

ID:	292005
PubChem CID:	114007367
Reduced:	N2O6C11H22 (1)
Stoich.:	A2B6C11D22 (1)
Weight, g/mol:	256.085935
ΔH_f, kcal/mol:	-271.88
Dipole, Da:	1.82
IP(EA), eV:	-9.19(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[[(2-fluorophenyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(COC)N(CCOC)C(=O)NC[C@@H](C(=O)O)O

DOS

IR

Vibrations